3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(4-fluorophenyl)methyl]-N-(o-tolyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(4-fluorobenzyl)-N-(o-tolyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3S/c1-15-5-2-3-6-18(15)21-19(24)23-12-4-11-22(14-23)13-16-7-9-17(20)10-8-16/h2-3,5-10H,4,11-14H2,1H3,(H,21,24)/p+1